3-(1H-pyrrol-2-yl)-2H-oxadiazole

C6H7N3O — CID 91294933

IUPAC3-(1H-pyrrol-2-yl)-2H-oxadiazole
SMILESC1=CN(c2ccc[nH]2)NO1
InChIInChI=1S/C6H7N3O/c1-2-6(7-3-1)9-4-5-10-8-9/h1-5,7-8H
InChIKeyLLPLFSMCUQBFSY-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.74
Rot. Bonds1

About 3-(1H-pyrrol-2-yl)-2H-oxadiazole

3-(1H-pyrrol-2-yl)-2H-oxadiazole (PubChem CID 91294933) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 3-(1H-pyrrol-2-yl)-2H-oxadiazole.

Molecular Properties

Compound Name3-(1H-pyrrol-2-yl)-2H-oxadiazole
PubChem CID91294933
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name3-(1H-pyrrol-2-yl)-2H-oxadiazole
SMILESC1=CN(c2ccc[nH]2)NO1
InChIInChI=1S/C6H7N3O/c1-2-6(7-3-1)9-4-5-10-8-9/h1-5,7-8H
InChIKeyLLPLFSMCUQBFSY-UHFFFAOYSA-N
XLogP0.74
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-2-yl)-2H-oxadiazole?
The IUPAC name of 3-(1H-pyrrol-2-yl)-2H-oxadiazole (CID 91294933) is 3-(1H-pyrrol-2-yl)-2H-oxadiazole.
What is the SMILES notation for 3-(1H-pyrrol-2-yl)-2H-oxadiazole?
The canonical SMILES for 3-(1H-pyrrol-2-yl)-2H-oxadiazole is C1=CN(c2ccc[nH]2)NO1.
What is the InChIKey of 3-(1H-pyrrol-2-yl)-2H-oxadiazole?
The InChIKey is LLPLFSMCUQBFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-2-6(7-3-1)9-4-5-10-8-9/h1-5,7-8H.
What are the key properties of 3-(1H-pyrrol-2-yl)-2H-oxadiazole?
3-(1H-pyrrol-2-yl)-2H-oxadiazole has a molecular weight of 137.14 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-2-yl)-2H-oxadiazole is sourced from PubChem (CID 91294933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).